3-(1-butylsulfonylpyrrolidin-2-yl)piperidine

C13H26N2O2S — CID 54885899

IUPAC3-(1-butylsulfonylpyrrolidin-2-yl)piperidine
SMILESCCCCS(=O)(=O)N1CCCC1C1CCCNC1
InChIInChI=1S/C13H26N2O2S/c1-2-3-10-18(16,17)15-9-5-7-13(15)12-6-4-8-14-11-12/h12-14H,2-11H2,1H3
InChIKeyNBIMZHSQJXYLGR-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.58
Rot. Bonds5

About 3-(1-butylsulfonylpyrrolidin-2-yl)piperidine

3-(1-butylsulfonylpyrrolidin-2-yl)piperidine (PubChem CID 54885899) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 3-(1-butylsulfonylpyrrolidin-2-yl)piperidine.

Molecular Properties

Compound Name3-(1-butylsulfonylpyrrolidin-2-yl)piperidine
PubChem CID54885899
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name3-(1-butylsulfonylpyrrolidin-2-yl)piperidine
SMILESCCCCS(=O)(=O)N1CCCC1C1CCCNC1
InChIInChI=1S/C13H26N2O2S/c1-2-3-10-18(16,17)15-9-5-7-13(15)12-6-4-8-14-11-12/h12-14H,2-11H2,1H3
InChIKeyNBIMZHSQJXYLGR-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1-butylsulfonylpyrrolidin-2-yl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-butylsulfonylpyrrolidin-2-yl)piperidine?
The IUPAC name of 3-(1-butylsulfonylpyrrolidin-2-yl)piperidine (CID 54885899) is 3-(1-butylsulfonylpyrrolidin-2-yl)piperidine.
What is the SMILES notation for 3-(1-butylsulfonylpyrrolidin-2-yl)piperidine?
The canonical SMILES for 3-(1-butylsulfonylpyrrolidin-2-yl)piperidine is CCCCS(=O)(=O)N1CCCC1C1CCCNC1.
What is the InChIKey of 3-(1-butylsulfonylpyrrolidin-2-yl)piperidine?
The InChIKey is NBIMZHSQJXYLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-2-3-10-18(16,17)15-9-5-7-13(15)12-6-4-8-14-11-12/h12-14H,2-11H2,1H3.
What are the key properties of 3-(1-butylsulfonylpyrrolidin-2-yl)piperidine?
3-(1-butylsulfonylpyrrolidin-2-yl)piperidine has a molecular weight of 274.43 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butylsulfonylpyrrolidin-2-yl)piperidine is sourced from PubChem (CID 54885899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).